# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37160300
_cell_length_b   19.81941729
_cell_length_c   52.63600827
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7690.16691427
_cell_formula_units_Z   60
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al1  1  0.751937  0.484254  0.295823  1
  Al  Al2  1  0.751937  0.095826  0.353472  1
  Al  Al3  1  0.751937  0.782294  0.325806  1
  Al  Al4  1  0.551783  0.391279  0.335141  1
  Al  Al5  1  0.556304  0.079858  0.305012  1
  Al  Al6  1  0.545121  0.761406  0.276183  1
  Al  Al7  1  0.952091  0.391279  0.335141  1
  Al  Al8  1  0.947570  0.079858  0.305012  1
  Al  Al9  1  0.958753  0.761406  0.276183  1
  Al  Al10  1  0.493925  0.386970  0.283085  1
  Al  Al11  1  0.450774  1.004561  0.347029  1
  Al  Al12  1  0.449457  0.687925  0.318276  1
  Al  Al13  1  0.553708  0.218199  0.343935  1
  Al  Al14  1  0.544832  0.903416  0.313389  1
  Al  Al15  1  0.549300  0.600699  0.280147  1
  Al  Al16  1  0.054858  0.213880  0.293333  1
  Al  Al17  1  0.054555  0.830514  0.355504  1
  Al  Al18  1  0.060425  0.519504  0.323292  1
  Al  Al19  1  0.950165  0.218199  0.343935  1
  Al  Al20  1  0.959042  0.903416  0.313389  1
  Al  Al21  1  0.954574  0.600699  0.280147  1
  Al  Al22  1  0.449015  0.213880  0.293333  1
  Al  Al23  1  0.449319  0.830514  0.355504  1
  Al  Al24  1  0.443449  0.519504  0.323292  1
  Al  Al25  1  0.009948  0.386970  0.283085  1
  Al  Al26  1  0.053100  1.004561  0.347029  1
  Al  Al27  1  0.054416  0.687925  0.318276  1
  Al  Al28  1  0.751937  0.296750  0.307448  1
  Al  Al29  1  0.751937  0.974592  0.278850  1
  Al  Al30  1  0.751937  0.607886  0.334329  1
  Al  Al31  1  0.251937  0.126777  0.338030  1
  Al  Al32  1  0.251937  0.809095  0.309552  1
  Al  Al33  1  0.251937  0.498454  0.277648  1
  Al  Al34  1  0.251937  0.300967  0.330510  1
  Al  Al35  1  0.251937  0.990837  0.299211  1
  Al  Al36  1  0.251937  0.612143  0.355599  1
  Al  Al37  1  0.751937  0.410919  0.383648  1
  Al  Al38  1  0.751937  0.037140  0.445545  1
  Al  Al39  1  0.751937  0.723333  0.415535  1
  Al  Al40  1  0.556125  0.329165  0.427599  1
  Al  Al41  1  0.556865  0.014003  0.397065  1
  Al  Al42  1  0.557439  0.701917  0.367304  1
  Al  Al43  1  0.947748  0.329165  0.427599  1
  Al  Al44  1  0.947009  0.014003  0.397065  1
  Al  Al45  1  0.946435  0.701917  0.367304  1
  Al  Al46  1  0.450693  0.318032  0.377712  1
  Al  Al47  1  0.446994  0.942893  0.439292  1
  Al  Al48  1  0.446248  0.627991  0.408502  1
  Al  Al49  1  0.556924  0.159266  0.434394  1
  Al  Al50  1  0.556850  0.846970  0.404775  1
  Al  Al51  1  0.555488  0.533806  0.373139  1
  Al  Al52  1  0.054004  0.142445  0.384969  1
  Al  Al53  1  0.056220  0.771865  0.445883  1
  Al  Al54  1  0.055800  0.457855  0.414343  1
  Al  Al55  1  0.946950  0.159266  0.434394  1
  Al  Al56  1  0.947023  0.846970  0.404775  1
  Al  Al57  1  0.948386  0.533806  0.373139  1
  Al  Al58  1  0.449870  0.142445  0.384969  1
  Al  Al59  1  0.447653  0.771865  0.445883  1
  Al  Al60  1  0.448073  0.457855  0.414343  1
  Al  Al61  1  0.053181  0.318032  0.377712  1
  Al  Al62  1  0.056880  0.942893  0.439292  1
  Al  Al63  1  0.057626  0.627991  0.408502  1
  Al  Al64  1  0.751937  0.235458  0.395103  1
  Al  Al65  1  0.751937  0.921496  0.364219  1
  Al  Al66  1  0.751937  0.548900  0.426501  1
  Al  Al67  1  0.251937  0.064736  0.427449  1
  Al  Al68  1  0.251937  0.751409  0.397720  1
  Al  Al69  1  0.251937  0.439416  0.364540  1
  Al  Al70  1  0.251937  0.238421  0.416159  1
  Al  Al71  1  0.251937  0.925254  0.385997  1
  Al  Al72  1  0.251937  0.551375  0.446726  1
  Al  Al73  1  0.751937  0.349275  0.475655  1
  Al  Al74  1  0.751937  0.976091  0.537107  1
  Al  Al75  1  0.751937  0.662302  0.506217  1
  Al  Al76  1  0.556032  0.268749  0.519043  1
  Al  Al77  1  0.556042  0.956446  0.489013  1
  Al  Al78  1  0.556009  0.643008  0.458111  1
  Al  Al79  1  0.947842  0.268749  0.519043  1
  Al  Al80  1  0.947831  0.956446  0.489013  1
  Al  Al81  1  0.947865  0.643008  0.458111  1
  Al  Al82  1  0.447459  0.255196  0.469181  1
  Al  Al83  1  0.447647  0.882189  0.530495  1
  Al  Al84  1  0.447514  0.567876  0.499168  1
  Al  Al85  1  0.556415  0.098450  0.525664  1
  Al  Al86  1  0.556360  0.785770  0.495677  1
  Al  Al87  1  0.556226  0.471457  0.464350  1
  Al  Al88  1  0.056032  0.084897  0.475802  1
  Al  Al89  1  0.056009  0.710638  0.536734  1
  Al  Al90  1  0.056042  0.397200  0.505832  1
  Al  Al91  1  0.947459  0.098450  0.525664  1
  Al  Al92  1  0.947514  0.785770  0.495677  1
  Al  Al93  1  0.947647  0.471457  0.464350  1
  Al  Al94  1  0.447842  0.084897  0.475802  1
  Al  Al95  1  0.447865  0.710638  0.536734  1
  Al  Al96  1  0.447831  0.397200  0.505832  1
  Al  Al97  1  0.056415  0.255196  0.469181  1
  Al  Al98  1  0.056226  0.882189  0.530495  1
  Al  Al99  1  0.056360  0.567876  0.499168  1
  Al  Al100  1  0.751937  0.175756  0.487065  1
  Al  Al101  1  0.751937  0.862605  0.457324  1
  Al  Al102  1  0.751937  0.488243  0.517065  1
  Al  Al103  1  0.251937  1.004371  0.519190  1
  Al  Al104  1  0.251937  0.691343  0.488628  1
  Al  Al105  1  0.251937  0.377555  0.457739  1
  Al  Al106  1  0.251937  0.177889  0.507780  1
  Al  Al107  1  0.251937  0.865403  0.477780  1
  Al  Al108  1  0.251937  0.491041  0.537521  1
  Al  Al109  1  0.751937  0.288910  0.567396  1
  Al  Al110  1  0.751937  0.914230  0.630305  1
  Al  Al111  1  0.751937  0.602237  0.597125  1
  Al  Al112  1  0.554004  0.211201  0.609876  1
  Al  Al113  1  0.555800  0.895791  0.580502  1
  Al  Al114  1  0.556220  0.581781  0.548962  1
  Al  Al115  1  0.949870  0.211201  0.609876  1
  Al  Al116  1  0.948073  0.895791  0.580502  1
  Al  Al117  1  0.947653  0.581781  0.548962  1
  Al  Al118  1  0.446950  0.194380  0.560451  1
  Al  Al119  1  0.448386  0.819840  0.621706  1
  Al  Al120  1  0.447023  0.506676  0.590070  1
  Al  Al121  1  0.553181  0.035613  0.617133  1
  Al  Al122  1  0.557626  0.725655  0.586343  1
  Al  Al123  1  0.556880  0.410752  0.555553  1
  Al  Al124  1  0.056125  0.024480  0.567247  1
  Al  Al125  1  0.057439  0.651729  0.627541  1
  Al  Al126  1  0.056865  0.339643  0.597780  1
  Al  Al127  1  0.950693  0.035613  0.617133  1
  Al  Al128  1  0.946248  0.725655  0.586343  1
  Al  Al129  1  0.946994  0.410752  0.555553  1
  Al  Al130  1  0.447748  0.024480  0.567247  1
  Al  Al131  1  0.446435  0.651729  0.627541  1
  Al  Al132  1  0.447009  0.339643  0.597780  1
  Al  Al133  1  0.056924  0.194380  0.560451  1
  Al  Al134  1  0.055488  0.819840  0.621706  1
  Al  Al135  1  0.056850  0.506676  0.590070  1
  Al  Al136  1  0.751937  0.115225  0.578686  1
  Al  Al137  1  0.751937  0.802271  0.548119  1
  Al  Al138  1  0.751937  0.428392  0.608848  1
  Al  Al139  1  0.251937  0.942727  0.611197  1
  Al  Al140  1  0.251937  0.630313  0.579310  1
  Al  Al141  1  0.251937  0.316506  0.549300  1
  Al  Al142  1  0.251937  0.118188  0.599742  1
  Al  Al143  1  0.251937  0.804746  0.568344  1
  Al  Al144  1  0.251937  0.432150  0.630626  1
  Al  Al145  1  0.751937  0.226869  0.656815  1
  Al  Al146  1  0.751937  0.855191  0.717197  1
  Al  Al147  1  0.751937  0.544551  0.685293  1
  Al  Al148  1  0.554858  0.139765  0.701512  1
  Al  Al149  1  0.560425  0.834142  0.671553  1
  Al  Al150  1  0.554555  0.523132  0.639341  1
  Al  Al151  1  0.949015  0.139765  0.701512  1
  Al  Al152  1  0.943449  0.834142  0.671553  1
  Al  Al153  1  0.949319  0.523132  0.639341  1
  Al  Al154  1  0.450165  0.135447  0.650910  1
  Al  Al155  1  0.454574  0.752947  0.714698  1
  Al  Al156  1  0.459042  0.450230  0.681456  1
  Al  Al157  1  0.509948  0.966676  0.711760  1
  Al  Al158  1  0.554416  0.665721  0.676569  1
  Al  Al159  1  0.553100  0.349084  0.647816  1
  Al  Al160  1  0.051783  0.962367  0.659704  1
  Al  Al161  1  0.045121  0.592240  0.718662  1
  Al  Al162  1  0.056304  0.273787  0.689833  1
  Al  Al163  1  0.993925  0.966676  0.711760  1
  Al  Al164  1  0.949457  0.665721  0.676569  1
  Al  Al165  1  0.950774  0.349084  0.647816  1
  Al  Al166  1  0.452091  0.962367  0.659704  1
  Al  Al167  1  0.458753  0.592240  0.718662  1
  Al  Al168  1  0.447570  0.273787  0.689833  1
  Al  Al169  1  0.053708  0.135447  0.650910  1
  Al  Al170  1  0.049300  0.752947  0.714698  1
  Al  Al171  1  0.044832  0.450230  0.681456  1
  Al  Al172  1  0.751937  0.052679  0.664335  1
  Al  Al173  1  0.751937  0.741503  0.639246  1
  Al  Al174  1  0.751937  0.362809  0.695634  1
  Al  Al175  1  0.251937  0.869392  0.699022  1
  Al  Al176  1  0.251937  0.571351  0.669039  1
  Al  Al177  1  0.251937  0.257820  0.641373  1
  Al  Al178  1  0.251937  0.056896  0.687397  1
  Al  Al179  1  0.251937  0.745760  0.660516  1
  Al  Al180  1  0.251937  0.379054  0.715995  1
  Ni  Ni181  1  0.751937  0.174993  0.311261  1
  Ni  Ni182  1  0.751937  0.849349  0.285823  1
  Ni  Ni183  1  0.751937  0.485556  0.341611  1
  Ni  Ni184  1  0.751937  0.310494  0.356121  1
  Ni  Ni185  1  0.751937  0.995042  0.325464  1
  Ni  Ni186  1  0.751937  0.685564  0.297921  1
  Ni  Ni187  1  0.251937  0.416577  0.313776  1
  Ni  Ni188  1  0.251937  0.114231  0.292466  1
  Ni  Ni189  1  0.251937  0.734818  0.350378  1
  Ni  Ni190  1  0.251937  0.310938  0.286303  1
  Ni  Ni191  1  0.251937  0.912477  0.335881  1
  Ni  Ni192  1  0.251937  0.601710  0.302433  1
  Ni  Ni193  1  0.751937  0.111386  0.401699  1
  Ni  Ni194  1  0.751937  0.798705  0.372771  1
  Ni  Ni195  1  0.751937  0.425913  0.431414  1
  Ni  Ni196  1  0.751937  0.248953  0.448474  1
  Ni  Ni197  1  0.751937  0.936106  0.419101  1
  Ni  Ni198  1  0.751937  0.622123  0.388508  1
  Ni  Ni199  1  0.251937  0.361234  0.410398  1
  Ni  Ni200  1  0.251937  0.046970  0.379997  1
  Ni  Ni201  1  0.251937  0.675000  0.441193  1
  Ni  Ni202  1  0.251937  0.225291  0.366795  1
  Ni  Ni203  1  0.251937  0.852665  0.424970  1
  Ni  Ni204  1  0.251937  0.538011  0.393523  1
  Ni  Ni205  1  0.751937  0.053066  0.492882  1
  Ni  Ni206  1  0.751937  0.739587  0.462970  1
  Ni  Ni207  1  0.751937  0.365382  0.522805  1
  Ni  Ni208  1  0.751937  0.188305  0.540015  1
  Ni  Ni209  1  0.751937  0.875751  0.509758  1
  Ni  Ni210  1  0.751937  0.561661  0.478602  1
  Ni  Ni211  1  0.251937  0.300580  0.501963  1
  Ni  Ni212  1  0.251937  0.988264  0.472040  1
  Ni  Ni213  1  0.251937  0.614059  0.531875  1
  Ni  Ni214  1  0.251937  0.165341  0.454830  1
  Ni  Ni215  1  0.251937  0.791985  0.516244  1
  Ni  Ni216  1  0.251937  0.477894  0.485087  1
  Ni  Ni217  1  0.751937  0.992412  0.584447  1
  Ni  Ni218  1  0.751937  0.678646  0.553652  1
  Ni  Ni219  1  0.751937  0.306676  0.614848  1
  Ni  Ni220  1  0.751937  0.128355  0.628050  1
  Ni  Ni221  1  0.751937  0.815635  0.601322  1
  Ni  Ni222  1  0.751937  0.500980  0.569875  1
  Ni  Ni223  1  0.251937  0.242260  0.593146  1
  Ni  Ni224  1  0.251937  0.927732  0.563431  1
  Ni  Ni225  1  0.251937  0.554940  0.622074  1
  Ni  Ni226  1  0.251937  0.104693  0.546371  1
  Ni  Ni227  1  0.251937  0.731522  0.606337  1
  Ni  Ni228  1  0.251937  0.417539  0.575744  1
  Ni  Ni229  1  0.751937  0.937069  0.681069  1
  Ni  Ni230  1  0.751937  0.618828  0.644467  1
  Ni  Ni231  1  0.751937  0.239415  0.702379  1
  Ni  Ni232  1  0.751937  0.042708  0.708542  1
  Ni  Ni233  1  0.751937  0.751935  0.692412  1
  Ni  Ni234  1  0.751937  0.441168  0.658964  1
  Ni  Ni235  1  0.251937  0.178653  0.683584  1
  Ni  Ni236  1  0.251937  0.868090  0.653234  1
  Ni  Ni237  1  0.251937  0.504297  0.709022  1
  Ni  Ni238  1  0.251937  0.043152  0.638724  1
  Ni  Ni239  1  0.251937  0.668081  0.696924  1
  Ni  Ni240  1  0.251937  0.358604  0.669381  1
